200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 927681-21-8
927681-21-8 | 1H-Imidazolium, 1-methyl-3-octyl-, 4-methylbenzenesulfonate (1:1)
CAS No: 927681-21-8 Catalog No: AG00614J MDL No:
Product Description
Catalog Number:
AG00614J
Chemical Name:
1H-Imidazolium, 1-methyl-3-octyl-, 4-methylbenzenesulfonate (1:1)
CAS Number:
927681-21-8
Molecular Formula:
C19H32N2O3S
Molecular Weight:
368.5340
IUPAC Name:
4-methylbenzenesulfonate;1-methyl-3-octyl-1,2-dihydroimidazol-1-ium
InChI:
InChI=1S/C12H24N2.C7H8O3S/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;1-6-2-4-7(5-3-6)11(8,9)10/h10-11H,3-9,12H2,1-2H3;2-5H,1H3,(H,8,9,10)
InChI Key:
AFIPNVKFMDJYRA-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)[O-].CCCCCCCCN1C=C[NH+](C1)C
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.213g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
368.536g/mol
Monoisotopic Mass:
368.213g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
73.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.